1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide

C21H29N9O2 — CID 11775013

IUPAC1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCOCCn1nc(C(=O)NC)c2nc(N3CCNCC3)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C21H29N9O2/c1-4-32-12-11-30-18-16(17(28-30)20(31)22-3)26-21(29-9-7-23-8-10-29)27-19(18)25-15-13-14(2)5-6-24-15/h5-6,13,23H,4,7-12H2,1-3H3,(H,22,31)(H,24,25,26,27)
InChIKeyHRCIYAUETQRQSF-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.08
Rot. Bonds8

About 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide

1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 11775013) has the molecular formula C21H29N9O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID11775013
Molecular FormulaC21H29N9O2
Molecular Weight439.52 g/mol
Exact Mass439.24
IUPAC Name1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCOCCn1nc(C(=O)NC)c2nc(N3CCNCC3)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C21H29N9O2/c1-4-32-12-11-30-18-16(17(28-30)20(31)22-3)26-21(29-9-7-23-8-10-29)27-19(18)25-15-13-14(2)5-6-24-15/h5-6,13,23H,4,7-12H2,1-3H3,(H,22,31)(H,24,25,26,27)
InChIKeyHRCIYAUETQRQSF-UHFFFAOYSA-N
XLogP1.08
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pf-00489791
CID 11465695
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
GSK-3|A inhibitor 13
CID 134551592
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925934
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935
1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidine-3-carboxamide
CID 11496164
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 11775013) is 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide is CCOCCn1nc(C(=O)NC)c2nc(N3CCNCC3)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is HRCIYAUETQRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9O2/c1-4-32-12-11-30-18-16(17(28-30)20(31)22-3)26-21(29-9-7-23-8-10-29)27-19(18)25-15-13-14(2)5-6-24-15/h5-6,13,23H,4,7-12H2,1-3H3,(H,22,31)(H,24,25,26,27).
What are the key properties of 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 11775013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).