(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H23N5O3 — CID 95200349

IUPAC(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2n[nH]c3c2CCCC3)[C@@H](c2ccoc2)NC(=O)N1
InChIInChI=1S/C19H23N5O3/c1-11-16(17(22-19(26)21-11)12-7-9-27-10-12)18(25)20-8-6-15-13-4-2-3-5-14(13)23-24-15/h7,9-10,17H,2-6,8H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26)/t17-/m1/s1
InChIKeyQVYTWTWASZNJOB-QGZVFWFLSA-N
MW369.43 g/mol
LogP1.87
Rot. Bonds5

About (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95200349) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95200349
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2n[nH]c3c2CCCC3)[C@@H](c2ccoc2)NC(=O)N1
InChIInChI=1S/C19H23N5O3/c1-11-16(17(22-19(26)21-11)12-7-9-27-10-12)18(25)20-8-6-15-13-4-2-3-5-14(13)23-24-15/h7,9-10,17H,2-6,8H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26)/t17-/m1/s1
InChIKeyQVYTWTWASZNJOB-QGZVFWFLSA-N
XLogP1.87
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-ethyl-4-(furan-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 162668956
(4S)-4-(furan-3-yl)-6-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95205110
5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91834000
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
CID 91832695
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50981979
3,5-dimethyl-4-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46985204
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172668754
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 72927177
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 56716529
(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 136821254
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91831552
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
CID 95214360

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95200349) is (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCc2n[nH]c3c2CCCC3)[C@@H](c2ccoc2)NC(=O)N1.
What is the InChIKey of (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is QVYTWTWASZNJOB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-16(17(22-19(26)21-11)12-7-9-27-10-12)18(25)20-8-6-15-13-4-2-3-5-14(13)23-24-15/h7,9-10,17H,2-6,8H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26)/t17-/m1/s1.
What are the key properties of (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95200349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).