tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C37H56N12O4 — CID 159539848

IUPACtert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)OC(=O)N1CCCC(c2cc(N)n3ncc(CN4CCOCC4)c3n2)C1.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C21H32N6O3.C16H24N6O/c1-21(2,3)30-20(28)26-6-4-5-15(14-26)17-11-18(22)27-19(24-17)16(12-23-27)13-25-7-9-29-10-8-25;17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21/h11-12,15H,4-10,13-14,22H2,1-3H3;8,10,12,18H,1-7,9,11,17H2
InChIKeyMEBDDWDRGMEOTA-UHFFFAOYSA-N
MW732.93 g/mol
LogP2.87
Rot. Bonds6

About tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159539848) has the molecular formula C37H56N12O4 and a molecular weight of 732.93 g/mol. Its IUPAC name is tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nametert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159539848
Molecular FormulaC37H56N12O4
Molecular Weight732.93 g/mol
Exact Mass732.45
IUPAC Nametert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)OC(=O)N1CCCC(c2cc(N)n3ncc(CN4CCOCC4)c3n2)C1.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C21H32N6O3.C16H24N6O/c1-21(2,3)30-20(28)26-6-4-5-15(14-26)17-11-18(22)27-19(24-17)16(12-23-27)13-25-7-9-29-10-8-25;17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21/h11-12,15H,4-10,13-14,22H2,1-3H3;8,10,12,18H,1-7,9,11,17H2
InChIKeyMEBDDWDRGMEOTA-UHFFFAOYSA-N
XLogP2.87
TPSA178.93 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 157261389
Tert-butyl 3-[7-[bis(ethoxymethyl)amino]-3-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157898557
Tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate;methyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 158741469
3-(Morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 16226175
Tert-butyl 3-[7-[(2-ethylpyrazol-3-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758507
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758516
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758556
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-[[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758557
Tert-butyl 3-[7-[(5-bromopyrimidin-2-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758562
Tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891229
Tert-butyl 3-[7-(cyclohexylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891234
Tert-butyl 3-[7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891247

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159539848) is tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)OC(=O)N1CCCC(c2cc(N)n3ncc(CN4CCOCC4)c3n2)C1.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.
What is the InChIKey of tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MEBDDWDRGMEOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3.C16H24N6O/c1-21(2,3)30-20(28)26-6-4-5-15(14-26)17-11-18(22)27-19(24-17)16(12-23-27)13-25-7-9-29-10-8-25;17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21/h11-12,15H,4-10,13-14,22H2,1-3H3;8,10,12,18H,1-7,9,11,17H2.
What are the key properties of tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 732.93 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[7-amino-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159539848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).