4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine

C29H34BrFN10O2 — CID 163439463

IUPAC4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)c1cnn(-c2ccnc(N)c2)c1.Nc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C11H14N4.C10H13FN2O2.C8H7BrN4/c1-8(2)9-6-14-15(7-9)10-3-4-13-11(12)5-10;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;9-6-4-12-13(5-6)7-1-2-11-8(10)3-7/h3-8H,1-2H3,(H2,12,13);4-6H,1-3H3,(H,12,13,14);1-5H,(H2,10,11)
InChIKeyAXGWXLFSJJPGCN-UHFFFAOYSA-N
MW653.56 g/mol
LogP6.15
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine

4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine (PubChem CID 163439463) has the molecular formula C29H34BrFN10O2 and a molecular weight of 653.56 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine
PubChem CID163439463
Molecular FormulaC29H34BrFN10O2
Molecular Weight653.56 g/mol
Exact Mass652.20
IUPAC Name4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)c1cnn(-c2ccnc(N)c2)c1.Nc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C11H14N4.C10H13FN2O2.C8H7BrN4/c1-8(2)9-6-14-15(7-9)10-3-4-13-11(12)5-10;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;9-6-4-12-13(5-6)7-1-2-11-8(10)3-7/h3-8H,1-2H3,(H2,12,13);4-6H,1-3H3,(H,12,13,14);1-5H,(H2,10,11)
InChIKeyAXGWXLFSJJPGCN-UHFFFAOYSA-N
XLogP6.15
TPSA164.68 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500653.56
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine with MolForge

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Related Compounds

US10023570, Example 201
CID 124199444
4-(2-t-butoxycarbonylaminopyridin-4-yl)-3-(3-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole
CID 69413852
4-(2-t-butoxycarbonylaminopyridin-4-yl)-3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole
CID 69414044
tert-butyl N-[4-[3-(4-fluorophenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]carbamate
CID 69414741
4-(2-t-butoxycarbonylaminopyridin-4-yl)-3-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole
CID 69416767
Tert-butyl 4-[4-[6-amino-4-[2-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118555305
tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate
CID 146485229
tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate;1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-amine
CID 175695733
tert-butyl (2R,6S)-4-[1-[(6-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)carbamoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 176373986
tert-butyl (2S)-4-[1-[(6-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)carbamoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 176374507
Tert-butyl 4-[1-[(6-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)carbamoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 176375331
Tert-butyl 4-[1-[(6-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)carbamoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-2,2-dimethylpiperazine-1-carboxylate
CID 176375408

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine (CID 163439463) is 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine is CC(C)(C)OC(=O)Nc1cc(F)ccn1.CC(C)c1cnn(-c2ccnc(N)c2)c1.Nc1cc(-n2cc(Br)cn2)ccn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is AXGWXLFSJJPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C10H13FN2O2.C8H7BrN4/c1-8(2)9-6-14-15(7-9)10-3-4-13-11(12)5-10;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;9-6-4-12-13(5-6)7-1-2-11-8(10)3-7/h3-8H,1-2H3,(H2,12,13);4-6H,1-3H3,(H,12,13,14);1-5H,(H2,10,11).
What are the key properties of 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine?
4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 653.56 g/mol, XLogP of 6.15, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)pyridin-2-amine;tert-butyl N-(4-fluoro-2-pyridinyl)carbamate;4-(4-propan-2-ylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 163439463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).