N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C27H34N8O2 — CID 21054875

IUPACN-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(ccn3C(=O)N3CCCC3)c2)ncn1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H34N8O2/c36-26(33-14-8-22(9-15-33)32-10-1-2-11-32)31-25-18-24(28-19-29-25)30-21-5-6-23-20(17-21)7-16-35(23)27(37)34-12-3-4-13-34/h5-7,16-19,22H,1-4,8-15H2,(H2,28,29,30,31,36)
InChIKeyHCTOXYDLERLSHA-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.33
Rot. Bonds4

About N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 21054875) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID21054875
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC NameN-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(ccn3C(=O)N3CCCC3)c2)ncn1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H34N8O2/c36-26(33-14-8-22(9-15-33)32-10-1-2-11-32)31-25-18-24(28-19-29-25)30-21-5-6-23-20(17-21)7-16-35(23)27(37)34-12-3-4-13-34/h5-7,16-19,22H,1-4,8-15H2,(H2,28,29,30,31,36)
InChIKeyHCTOXYDLERLSHA-UHFFFAOYSA-N
XLogP4.33
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide
CID 175250346
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CID 23152957
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 23652954
N-(4-fluorophenyl)-N'-[3-fluoro-4-[6-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]oxyphenyl]propanediamide
CID 23153166
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide
CID 23653033
[3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20933345
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide
CID 139836900
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 21054875) is N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(Nc1cc(Nc2ccc3c(ccn3C(=O)N3CCCC3)c2)ncn1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is HCTOXYDLERLSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c36-26(33-14-8-22(9-15-33)32-10-1-2-11-32)31-25-18-24(28-19-29-25)30-21-5-6-23-20(17-21)7-16-35(23)27(37)34-12-3-4-13-34/h5-7,16-19,22H,1-4,8-15H2,(H2,28,29,30,31,36).
What are the key properties of N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 21054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).