5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide

C24H24N8O3 — CID 163256850

IUPAC5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
SMILESCn1ccc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CC5)O3)c3ncnc(N)c23)n1
InChIInChI=1S/C24H24N8O3/c1-31-9-8-16(30-31)15-11-32(23-21(15)22(25)26-12-27-23)20-7-5-18(35-20)24(34)28-14-4-2-13-3-6-19(33)29-17(13)10-14/h2,4,8-12,18,20H,3,5-7H2,1H3,(H,28,34)(H,29,33)(H2,25,26,27)
InChIKeyDUFNVCUUZFLBHG-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.62
Rot. Bonds4

About 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide

5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide (PubChem CID 163256850) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
PubChem CID163256850
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
SMILESCn1ccc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CC5)O3)c3ncnc(N)c23)n1
InChIInChI=1S/C24H24N8O3/c1-31-9-8-16(30-31)15-11-32(23-21(15)22(25)26-12-27-23)20-7-5-18(35-20)24(34)28-14-4-2-13-3-6-19(33)29-17(13)10-14/h2,4,8-12,18,20H,3,5-7H2,1H3,(H,28,34)(H,29,33)(H2,25,26,27)
InChIKeyDUFNVCUUZFLBHG-UHFFFAOYSA-N
XLogP2.62
TPSA141.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(4-hydroxycyclohexyl)oxolane-2-carboxamide
CID 163256707
5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 163256890
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-[2-(methylcarbamoylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 163256682
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(4-hydroxycyclohexyl)oxolane-2-carboxamide
CID 170777233
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(3-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 163256824
(2S,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(azetidin-1-yl)quinolin-7-yl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxamide
CID 174001197
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)oxolane-2-carboxamide
CID 163256725
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-[(4-hydroxycyclohexyl)methyl]oxolane-2-carboxamide
CID 167007004
(3aR,4R,6S,6aS)-4-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 163256872
2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91962370
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(3-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 163256832
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholine-2-carboxamide
CID 119788439

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?
The IUPAC name of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide (CID 163256850) is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide is Cn1ccc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CC5)O3)c3ncnc(N)c23)n1.
What is the InChIKey of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?
The InChIKey is DUFNVCUUZFLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-31-9-8-16(30-31)15-11-32(23-21(15)22(25)26-12-27-23)20-7-5-18(35-20)24(34)28-14-4-2-13-3-6-19(33)29-17(13)10-14/h2,4,8-12,18,20H,3,5-7H2,1H3,(H,28,34)(H,29,33)(H2,25,26,27).
What are the key properties of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?
5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 163256850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).