3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine

C38H49Br2N13 — CID 90715165

IUPAC3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCNCC3)nc12.CC(C)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN
InChIInChI=1S/C20H25BrN6.C17H19BrN6.CH5N/c1-14(2)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;18-14-11-22-24-16(21-10-12-2-1-5-20-9-12)8-15(23-17(14)24)13-3-6-19-7-4-13;1-2/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;1-2,5,8-9,11,13,19,21H,3-4,6-7,10H2;2H2,1H3
InChIKeyCTZDIJDAZBYQFO-UHFFFAOYSA-N
MW847.71 g/mol
LogP6.63
Rot. Bonds9

About 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine

3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine (PubChem CID 90715165) has the molecular formula C38H49Br2N13 and a molecular weight of 847.71 g/mol. Its IUPAC name is 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine.

Molecular Properties

Compound Name3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine
PubChem CID90715165
Molecular FormulaC38H49Br2N13
Molecular Weight847.71 g/mol
Exact Mass845.26
IUPAC Name3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCNCC3)nc12.CC(C)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN
InChIInChI=1S/C20H25BrN6.C17H19BrN6.CH5N/c1-14(2)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;18-14-11-22-24-16(21-10-12-2-1-5-20-9-12)8-15(23-17(14)24)13-3-6-19-7-4-13;1-2/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;1-2,5,8-9,11,13,19,21H,3-4,6-7,10H2;2H2,1H3
InChIKeyCTZDIJDAZBYQFO-UHFFFAOYSA-N
XLogP6.63
TPSA151.51 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.71
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine with MolForge

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Related Compounds

3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
kinase inhibitor 2 [PMID: 30199702]
CID 134813913
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
US9670208, Example 115
CID 118216704
(R)-3-(6-(1-(4-fluorophenyl)propylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 45486142

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine?
The IUPAC name of 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine (CID 90715165) is 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine.
What is the SMILES notation for 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine?
The canonical SMILES for 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine is Brc1cnn2c(NCc3cccnc3)cc(C3CCNCC3)nc12.CC(C)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN.
What is the InChIKey of 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine?
The InChIKey is CTZDIJDAZBYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN6.C17H19BrN6.CH5N/c1-14(2)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;18-14-11-22-24-16(21-10-12-2-1-5-20-9-12)8-15(23-17(14)24)13-3-6-19-7-4-13;1-2/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;1-2,5,8-9,11,13,19,21H,3-4,6-7,10H2;2H2,1H3.
What are the key properties of 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine?
3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine has a molecular weight of 847.71 g/mol, XLogP of 6.63, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine is sourced from PubChem (CID 90715165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).