6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

C34H37N9O4 — CID 175918317

IUPAC6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc3[nH]nc(N)c3c(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccn5)c(=O)n4C(C)C)cc3)n2)CC1
InChIInChI=1S/C34H37N9O4/c1-18(2)32(45)41-15-12-20(13-16-41)23-17-24-26(30(35)40-39-24)28(38-23)21-8-10-22(11-9-21)29-27(31(36)44)33(46)43(25-7-5-6-14-37-25)34(47)42(29)19(3)4/h5-11,14,17-20H,12-13,15-16H2,1-4H3,(H2,36,44)(H3,35,39,40)
InChIKeyDTHMKVCTPBDGDT-UHFFFAOYSA-N
MW635.73 g/mol
LogP3.62
Rot. Bonds7

About 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 175918317) has the molecular formula C34H37N9O4 and a molecular weight of 635.73 g/mol. Its IUPAC name is 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID175918317
Molecular FormulaC34H37N9O4
Molecular Weight635.73 g/mol
Exact Mass635.30
IUPAC Name6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc3[nH]nc(N)c3c(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccn5)c(=O)n4C(C)C)cc3)n2)CC1
InChIInChI=1S/C34H37N9O4/c1-18(2)32(45)41-15-12-20(13-16-41)23-17-24-26(30(35)40-39-24)28(38-23)21-8-10-22(11-9-21)29-27(31(36)44)33(46)43(25-7-5-6-14-37-25)34(47)42(29)19(3)4/h5-11,14,17-20H,12-13,15-16H2,1-4H3,(H2,36,44)(H3,35,39,40)
InChIKeyDTHMKVCTPBDGDT-UHFFFAOYSA-N
XLogP3.62
TPSA187.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.73
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (CID 175918317) is 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is CC(C)C(=O)N1CCC(c2cc3[nH]nc(N)c3c(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccn5)c(=O)n4C(C)C)cc3)n2)CC1.
What is the InChIKey of 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is DTHMKVCTPBDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N9O4/c1-18(2)32(45)41-15-12-20(13-16-41)23-17-24-26(30(35)40-39-24)28(38-23)21-8-10-22(11-9-21)29-27(31(36)44)33(46)43(25-7-5-6-14-37-25)34(47)42(29)19(3)4/h5-11,14,17-20H,12-13,15-16H2,1-4H3,(H2,36,44)(H3,35,39,40).
What are the key properties of 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 635.73 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 175918317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).