N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine

C27H32N10O — CID 163912076

IUPACN,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine
SMILESCc1ccnc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cc(C)n(CCN(C)C)n5)cc4n3)n2)c1
InChIInChI=1S/C27H32N10O/c1-19-5-7-28-22(15-19)21-6-8-36(30-21)25-18-27(34-11-13-38-14-12-34)37-26(29-25)17-24(32-37)23-16-20(2)35(31-23)10-9-33(3)4/h5-8,15-18H,9-14H2,1-4H3
InChIKeyQSZBLRCIKBKSJM-UHFFFAOYSA-N
MW512.62 g/mol
LogP2.86
Rot. Bonds7

About N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine

N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine (PubChem CID 163912076) has the molecular formula C27H32N10O and a molecular weight of 512.62 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine
PubChem CID163912076
Molecular FormulaC27H32N10O
Molecular Weight512.62 g/mol
Exact Mass512.28
IUPAC NameN,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine
SMILESCc1ccnc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cc(C)n(CCN(C)C)n5)cc4n3)n2)c1
InChIInChI=1S/C27H32N10O/c1-19-5-7-28-22(15-19)21-6-8-36(30-21)25-18-27(34-11-13-38-14-12-34)37-26(29-25)17-24(32-37)23-16-20(2)35(31-23)10-9-33(3)4/h5-8,15-18H,9-14H2,1-4H3
InChIKeyQSZBLRCIKBKSJM-UHFFFAOYSA-N
XLogP2.86
TPSA94.43 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine (CID 163912076) is N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine is Cc1ccnc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cc(C)n(CCN(C)C)n5)cc4n3)n2)c1.
What is the InChIKey of N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine?
The InChIKey is QSZBLRCIKBKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N10O/c1-19-5-7-28-22(15-19)21-6-8-36(30-21)25-18-27(34-11-13-38-14-12-34)37-26(29-25)17-24(32-37)23-16-20(2)35(31-23)10-9-33(3)4/h5-8,15-18H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine?
N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine has a molecular weight of 512.62 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridinyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 163912076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).