N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

C37H42N8O4 — CID 169085131

IUPACN-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCn1nc(N)c2c(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)cc(C3CCN(C(=O)C(C)C)CC3)cc21
InChIInChI=1S/C37H42N8O4/c1-6-44-30-20-26(24-14-17-42(18-15-24)35(47)22(2)3)19-28(32(30)33(38)41-44)25-10-12-27(13-11-25)40-34(46)29-21-43(23(4)5)37(49)45(36(29)48)31-9-7-8-16-39-31/h7-13,16,19-24H,6,14-15,17-18H2,1-5H3,(H2,38,41)(H,40,46)
InChIKeyNBVFJDHPUBWDMY-UHFFFAOYSA-N
MW662.80 g/mol
LogP5.21
Rot. Bonds8

About N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 169085131) has the molecular formula C37H42N8O4 and a molecular weight of 662.80 g/mol. Its IUPAC name is N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID169085131
Molecular FormulaC37H42N8O4
Molecular Weight662.80 g/mol
Exact Mass662.33
IUPAC NameN-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCn1nc(N)c2c(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)cc(C3CCN(C(=O)C(C)C)CC3)cc21
InChIInChI=1S/C37H42N8O4/c1-6-44-30-20-26(24-14-17-42(18-15-24)35(47)22(2)3)19-28(32(30)33(38)41-44)25-10-12-27(13-11-25)40-34(46)29-21-43(23(4)5)37(49)45(36(29)48)31-9-7-8-16-39-31/h7-13,16,19-24H,6,14-15,17-18H2,1-5H3,(H2,38,41)(H,40,46)
InChIKeyNBVFJDHPUBWDMY-UHFFFAOYSA-N
XLogP5.21
TPSA150.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (CID 169085131) is N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is CCn1nc(N)c2c(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)cc(C3CCN(C(=O)C(C)C)CC3)cc21.
What is the InChIKey of N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is NBVFJDHPUBWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N8O4/c1-6-44-30-20-26(24-14-17-42(18-15-24)35(47)22(2)3)19-28(32(30)33(38)41-44)25-10-12-27(13-11-25)40-34(46)29-21-43(23(4)5)37(49)45(36(29)48)31-9-7-8-16-39-31/h7-13,16,19-24H,6,14-15,17-18H2,1-5H3,(H2,38,41)(H,40,46).
What are the key properties of N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 662.80 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169085131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).