5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

C19H26N8O2 — CID 163256890

IUPAC5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCC(n2cc(-c3ccn(C)n3)c3c(N)ncnc32)O1
InChIInChI=1S/C19H26N8O2/c1-25(2)9-7-21-19(28)14-4-5-15(29-14)27-10-12(13-6-8-26(3)24-13)16-17(20)22-11-23-18(16)27/h6,8,10-11,14-15H,4-5,7,9H2,1-3H3,(H,21,28)(H2,20,22,23)
InChIKeyLSNMRHZVEAKIRF-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.77
Rot. Bonds6

About 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (PubChem CID 163256890) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
PubChem CID163256890
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCC(n2cc(-c3ccn(C)n3)c3c(N)ncnc32)O1
InChIInChI=1S/C19H26N8O2/c1-25(2)9-7-21-19(28)14-4-5-15(29-14)27-10-12(13-6-8-26(3)24-13)16-17(20)22-11-23-18(16)27/h6,8,10-11,14-15H,4-5,7,9H2,1-3H3,(H,21,28)(H2,20,22,23)
InChIKeyLSNMRHZVEAKIRF-UHFFFAOYSA-N
XLogP0.77
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

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-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
CID 163256850
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(2-propan-2-yloxyethyl)oxolane-2-carboxamide
CID 163256843
(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
(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-[2-(4-phenylphenyl)ethyl]oxolane-2-carboxamide
CID 167006843
(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
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 163256671
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(3-hydroxypropyl)-N-piperidin-4-yloxolane-2-carboxamide
CID 163256733
5-[4-[(2,4-dimethoxyphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-2-carboxylic acid;propane-2,2-diol
CID 163256835
(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-(3-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 163256832

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-(dimethylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (CID 163256890) is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide is CN(C)CCNC(=O)C1CCC(n2cc(-c3ccn(C)n3)c3c(N)ncnc32)O1.
What is the InChIKey of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is LSNMRHZVEAKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-25(2)9-7-21-19(28)14-4-5-15(29-14)27-10-12(13-6-8-26(3)24-13)16-17(20)22-11-23-18(16)27/h6,8,10-11,14-15H,4-5,7,9H2,1-3H3,(H,21,28)(H2,20,22,23).
What are the key properties of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 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-(dimethylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 163256890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).