N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide

C26H27N5O3 — CID 146503242

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c2ncccc12
InChIInChI=1S/C26H27N5O3/c1-16-18(12-17-5-6-21(28-14-17)22-7-10-31(2)30-22)13-20(25-19(16)4-3-9-27-25)26(33)29-23-8-11-34-15-24(23)32/h3-7,9-10,13-14,23-24,32H,8,11-12,15H2,1-2H3,(H,29,33)/t23-,24-/m0/s1
InChIKeyIHSPDWYAULNFOG-ZEQRLZLVSA-N
MW457.53 g/mol
LogP2.81
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide (PubChem CID 146503242) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
PubChem CID146503242
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c2ncccc12
InChIInChI=1S/C26H27N5O3/c1-16-18(12-17-5-6-21(28-14-17)22-7-10-31(2)30-22)13-20(25-19(16)4-3-9-27-25)26(33)29-23-8-11-34-15-24(23)32/h3-7,9-10,13-14,23-24,32H,8,11-12,15H2,1-2H3,(H,29,33)/t23-,24-/m0/s1
InChIKeyIHSPDWYAULNFOG-ZEQRLZLVSA-N
XLogP2.81
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 137404563
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide
CID 146503240
N-[(1S,2S)-2-hydroxycyclobutyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 148695470
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501248
N-[(1S,2S)-2-hydroxycyclopentyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 153160749
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-7,8-dimethyl-4-oxoquinazolin-6-yl]methyl]benzamide
CID 162466553
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404581
1-[(6-chloro-3-pyridinyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 121464527
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 147196532
8-chloro-3-[(3R,4S)-3-hydroxyoxan-4-yl]-7-methyl-6-[[6-(1-methyltriazol-4-yl)-3-pyridinyl]methyl]quinazolin-4-one
CID 159786853
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147405286

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide (CID 146503242) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c2ncccc12.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide?
The InChIKey is IHSPDWYAULNFOG-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-18(12-17-5-6-21(28-14-17)22-7-10-31(2)30-22)13-20(25-19(16)4-3-9-27-25)26(33)29-23-8-11-34-15-24(23)32/h3-7,9-10,13-14,23-24,32H,8,11-12,15H2,1-2H3,(H,29,33)/t23-,24-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 146503242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).