N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide

C22H28N6O2 — CID 95834439

IUPACN-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1
InChIInChI=1S/C22H28N6O2/c1-14(2)23-21-17-10-11-18(25-22(17)27-26-21)19-5-4-12-28(19)13-20(29)24-15-6-8-16(30-3)9-7-15/h6-11,14,19H,4-5,12-13H2,1-3H3,(H,24,29)(H2,23,25,26,27)/t19-/m1/s1
InChIKeyRGPVCQDCWWXTOT-LJQANCHMSA-N
MW408.51 g/mol
LogP3.56
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95834439) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide
PubChem CID95834439
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1
InChIInChI=1S/C22H28N6O2/c1-14(2)23-21-17-10-11-18(25-22(17)27-26-21)19-5-4-12-28(19)13-20(29)24-15-6-8-16(30-3)9-7-15/h6-11,14,19H,4-5,12-13H2,1-3H3,(H,24,29)(H2,23,25,26,27)/t19-/m1/s1
InChIKeyRGPVCQDCWWXTOT-LJQANCHMSA-N
XLogP3.56
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
N-(4-methoxyphenyl)-2-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832591
N-(4-methoxyphenyl)-2-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832590
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51172227
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110264662
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 63759527

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide (CID 95834439) is N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is RGPVCQDCWWXTOT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14(2)23-21-17-10-11-18(25-22(17)27-26-21)19-5-4-12-28(19)13-20(29)24-15-6-8-16(30-3)9-7-15/h6-11,14,19H,4-5,12-13H2,1-3H3,(H,24,29)(H2,23,25,26,27)/t19-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95834439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).