N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide

C19H23N5O2 — CID 123976192

IUPACN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCC3CC3)c3c2=CCCN=3)c1C
InChIInChI=1S/C19H23N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,21,25)
InChIKeyKOFDKSRXQNDCQN-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.59
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 123976192) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID123976192
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCC3CC3)c3c2=CCCN=3)c1C
InChIInChI=1S/C19H23N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,21,25)
InChIKeyKOFDKSRXQNDCQN-UHFFFAOYSA-N
XLogP0.59
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90466852
N-(2,2-difluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467158
1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-[2-(trifluoromethoxy)ethyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90466855
N-(2-cyano-2,2-difluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 156700583
1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 156654263
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526307
N-(cyclopropylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566629
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide (CID 123976192) is N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncnc(Cn2cc(C(=O)NCC3CC3)c3c2=CCCN=3)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is KOFDKSRXQNDCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-5,6-dihydropyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 123976192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).