N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C25H35N9O — CID 146605349

IUPACN-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)NCN5CCCCC5)[nH]c4n3)nc2)CC1
InChIInChI=1S/C25H35N9O/c1-18(2)33-10-12-34(13-11-33)20-6-7-22(26-16-20)30-25-27-15-19-14-21(29-23(19)31-25)24(35)28-17-32-8-4-3-5-9-32/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,28,35)(H2,26,27,29,30,31)
InChIKeyGHADDUAJFPXXPC-UHFFFAOYSA-N
MW477.62 g/mol
LogP2.80
Rot. Bonds7

About N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 146605349) has the molecular formula C25H35N9O and a molecular weight of 477.62 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID146605349
Molecular FormulaC25H35N9O
Molecular Weight477.62 g/mol
Exact Mass477.30
IUPAC NameN-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)NCN5CCCCC5)[nH]c4n3)nc2)CC1
InChIInChI=1S/C25H35N9O/c1-18(2)33-10-12-34(13-11-33)20-6-7-22(26-16-20)30-25-27-15-19-14-21(29-23(19)31-25)24(35)28-17-32-8-4-3-5-9-32/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,28,35)(H2,26,27,29,30,31)
InChIKeyGHADDUAJFPXXPC-UHFFFAOYSA-N
XLogP2.80
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
CID 138616063
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
CID 157414730
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine
CID 138616061
7-cyclopentyl-2-[[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764109
N-cyclopentyl-N-[5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]formamide
CID 154974632
4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 145041166
14-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-3,11,13,15-tetrazatricyclo[9.7.0.012,17]octadeca-1(18),12,14,16-tetraen-2-one
CID 126571441
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 159307931
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
14-[[5-[4-(2-aminoacetyl)piperazin-1-yl]-2-pyridinyl]amino]-7-methyl-1,7,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11,13,15-tetraen-8-one
CID 70900380
N-[5-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-4-amine
CID 134181644

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 146605349) is N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)NCN5CCCCC5)[nH]c4n3)nc2)CC1.
What is the InChIKey of N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GHADDUAJFPXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O/c1-18(2)33-10-12-34(13-11-33)20-6-7-22(26-16-20)30-25-27-15-19-14-21(29-23(19)31-25)24(35)28-17-32-8-4-3-5-9-32/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,28,35)(H2,26,27,29,30,31).
What are the key properties of N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 477.62 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 146605349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).