5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one

C21H21N7O3 — CID 137285074

IUPAC5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1cc(-n2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)[nH]c(=O)c32)cn1
InChIInChI=1S/C21H21N7O3/c1-26-13-16(12-22-26)28-7-6-17-18(28)19(29)25-21(24-17)23-15-4-2-14(3-5-15)20(30)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H2,23,24,25,29)
InChIKeySOUGOHLFFGDSSM-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.66
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one

5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 137285074) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID137285074
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1cc(-n2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)[nH]c(=O)c32)cn1
InChIInChI=1S/C21H21N7O3/c1-26-13-16(12-22-26)28-7-6-17-18(28)19(29)25-21(24-17)23-15-4-2-14(3-5-15)20(30)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H2,23,24,25,29)
InChIKeySOUGOHLFFGDSSM-UHFFFAOYSA-N
XLogP1.66
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
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(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56669088
1-(2-Hydroxyethyl)-3-(2-Methylbutan-2-Yl)-5-[4-(2-Methyl-1h-Imidazol-1-Yl)phenyl]-6,7-Dihydropyrazolo[4,3-E][1,4]diazepin-8(1h)-One
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5-(2-Methoxyethyl)-1-Methyl-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydropyrrolo[3,2-C]pyridin-4-One
CID 126480565
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
N-[(7S)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 165415295
4-N-(2-methoxyethyl)-4-N,1-dimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 137285074) is 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cn1cc(-n2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)[nH]c(=O)c32)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is SOUGOHLFFGDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-26-13-16(12-22-26)28-7-6-17-18(28)19(29)25-21(24-17)23-15-4-2-14(3-5-15)20(30)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H2,23,24,25,29).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 419.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)anilino]-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).