tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine

C48H60N16O4 — CID 157421016

IUPACtert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1.CN(Cc1ccc(-n2cccn2)nc1)C(=O)OC(C)(C)C.CNCc1ccc(-n2cccn2)nc1.NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H20N4O2.C14H18N4O2.C10H12N4.C9H10N4/c1-15(2,3)21-14(20)18(4)11-12-6-7-13(16-10-12)19-9-5-8-17-19;1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18;1-11-7-9-3-4-10(12-8-9)14-6-2-5-13-14;10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,16,19);2-6,8,11H,7H2,1H3;1-5,7H,6,10H2
InChIKeyBPKFNWZNJRLVRL-UHFFFAOYSA-N
MW925.12 g/mol
LogP6.64
Rot. Bonds11

About tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine

tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 157421016) has the molecular formula C48H60N16O4 and a molecular weight of 925.12 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID157421016
Molecular FormulaC48H60N16O4
Molecular Weight925.12 g/mol
Exact Mass924.50
IUPAC Nametert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1.CN(Cc1ccc(-n2cccn2)nc1)C(=O)OC(C)(C)C.CNCc1ccc(-n2cccn2)nc1.NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H20N4O2.C14H18N4O2.C10H12N4.C9H10N4/c1-15(2,3)21-14(20)18(4)11-12-6-7-13(16-10-12)19-9-5-8-17-19;1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18;1-11-7-9-3-4-10(12-8-9)14-6-2-5-13-14;10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,16,19);2-6,8,11H,7H2,1H3;1-5,7H,6,10H2
InChIKeyBPKFNWZNJRLVRL-UHFFFAOYSA-N
XLogP6.64
TPSA228.76 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.12
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(6'-Methylamino-[2,2';4',3'']terpyridin-5''-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 68758262
Tert-butyl 4-[4-[3-[[6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 121339224
tert-butyl (1S,4S)-5-[6-(3-aminopyrazolo[5,4-b]pyridin-1-yl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 125504524
tert-butyl (1S,4S)-5-[4-[3-(pyrazin-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 125504643
tert-butyl (1S,4S)-5-[4-[3-[(4-methyl-2-pyridinyl)amino]pyrazolo[5,4-b]pyridin-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 125504650
tert-butyl (1S,4S)-5-[4-[3-(pyrazin-2-ylamino)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141618426
tert-butyl (1S,4S)-5-[4-[3-(pyrazin-2-ylamino)pyrazolo[5,4-c]pyridin-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141618541
tert-butyl (1S,4S)-5-[6-[3-(pyrazin-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141618545
tert-butyl N-[1-[3-[2-(tert-butylamino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]carbamate
CID 142746584
Tert-butyl 4-[4-[6-amino-5-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 142746588
tert-butyl N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-5-isocyanopyridine;3,5-dimethyl-1H-pyrazole;2-(3,5-dimethylpyrazol-1-yl)-5-isocyanopyridine;[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine;hydrochloride
CID 157056794
tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157064935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine (CID 157421016) is tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine is CC(C)(C)OC(=O)NCc1ccc(-n2cccn2)nc1.CN(Cc1ccc(-n2cccn2)nc1)C(=O)OC(C)(C)C.CNCc1ccc(-n2cccn2)nc1.NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is BPKFNWZNJRLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C14H18N4O2.C10H12N4.C9H10N4/c1-15(2,3)21-14(20)18(4)11-12-6-7-13(16-10-12)19-9-5-8-17-19;1-14(2,3)20-13(19)16-10-11-5-6-12(15-9-11)18-8-4-7-17-18;1-11-7-9-3-4-10(12-8-9)14-6-2-5-13-14;10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,16,19);2-6,8,11H,7H2,1H3;1-5,7H,6,10H2.
What are the key properties of tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine?
tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 925.12 g/mol, XLogP of 6.64, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate;N-methyl-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine;(6-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 157421016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).