N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

C18H25N7O3 — CID 130267611

IUPACN-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc2c([nH]1)CN(C[C@@H](O)CNC(=O)c1cc(NC3COC3)ncn1)CC2
InChIInChI=1S/C18H25N7O3/c1-11-22-14-2-3-25(7-16(14)23-11)6-13(26)5-19-18(27)15-4-17(21-10-20-15)24-12-8-28-9-12/h4,10,12-13,26H,2-3,5-9H2,1H3,(H,19,27)(H,22,23)(H,20,21,24)/t13-/m0/s1
InChIKeyGBBBBLIRIWJMSE-ZDUSSCGKSA-N
MW387.44 g/mol
LogP-0.53
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (PubChem CID 130267611) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
PubChem CID130267611
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC NameN-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc2c([nH]1)CN(C[C@@H](O)CNC(=O)c1cc(NC3COC3)ncn1)CC2
InChIInChI=1S/C18H25N7O3/c1-11-22-14-2-3-25(7-16(14)23-11)6-13(26)5-19-18(27)15-4-17(21-10-20-15)24-12-8-28-9-12/h4,10,12-13,26H,2-3,5-9H2,1H3,(H,19,27)(H,22,23)(H,20,21,24)/t13-/m0/s1
InChIKeyGBBBBLIRIWJMSE-ZDUSSCGKSA-N
XLogP-0.53
TPSA128.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611090
N-[2-hydroxy-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611302
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 90241674
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611250
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611252
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611184
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-oxaspiro[3.3]heptan-6-ylamino)pyrimidine-4-carboxamide
CID 139297189
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957
6-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;methane
CID 161342900
6-(cyclohexylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 139296800
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylamino)pyrimidine-4-carboxamide
CID 123775073

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (CID 130267611) is N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is Cc1nc2c([nH]1)CN(C[C@@H](O)CNC(=O)c1cc(NC3COC3)ncn1)CC2.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The InChIKey is GBBBBLIRIWJMSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-11-22-14-2-3-25(7-16(14)23-11)6-13(26)5-19-18(27)15-4-17(21-10-20-15)24-12-8-28-9-12/h4,10,12-13,26H,2-3,5-9H2,1H3,(H,19,27)(H,22,23)(H,20,21,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of -0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 130267611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).