(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

C29H37N7O4 — CID 157016953

IUPAC(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(C3CC3)[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C29H37N7O4/c1-19(2)15-24-28(38)31-10-13-35-12-9-30-27(35)21-5-3-6-22(16-21)40-14-4-11-36(18-26(37)32-24)29(39)25-17-23(33-34-25)20-7-8-20/h3,5-6,9,12,16-17,19-20,24H,4,7-8,10-11,13-15,18H2,1-2H3,(H,31,38)(H,32,37)(H,33,34)/t24-/m1/s1
InChIKeyAMPHELBMFYSZSW-XMMPIXPASA-N
MW547.66 g/mol
LogP2.72
Rot. Bonds4

About (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (PubChem CID 157016953) has the molecular formula C29H37N7O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
PubChem CID157016953
Molecular FormulaC29H37N7O4
Molecular Weight547.66 g/mol
Exact Mass547.29
IUPAC Name(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(C3CC3)[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C29H37N7O4/c1-19(2)15-24-28(38)31-10-13-35-12-9-30-27(35)21-5-3-6-22(16-21)40-14-4-11-36(18-26(37)32-24)29(39)25-17-23(33-34-25)20-7-8-20/h3,5-6,9,12,16-17,19-20,24H,4,7-8,10-11,13-15,18H2,1-2H3,(H,31,38)(H,32,37)(H,33,34)/t24-/m1/s1
InChIKeyAMPHELBMFYSZSW-XMMPIXPASA-N
XLogP2.72
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione with MolForge

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Related Compounds

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CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934381
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57394242
1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57397800
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CID 165414933
4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414943
4-N-cyclopropyl-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414958
4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414895
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The IUPAC name of (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (CID 157016953) is (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.
What is the SMILES notation for (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The canonical SMILES for (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(C3CC3)[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The InChIKey is AMPHELBMFYSZSW-XMMPIXPASA-N. The full InChI is InChI=1S/C29H37N7O4/c1-19(2)15-24-28(38)31-10-13-35-12-9-30-27(35)21-5-3-6-22(16-21)40-14-4-11-36(18-26(37)32-24)29(39)25-17-23(33-34-25)20-7-8-20/h3,5-6,9,12,16-17,19-20,24H,4,7-8,10-11,13-15,18H2,1-2H3,(H,31,38)(H,32,37)(H,33,34)/t24-/m1/s1.
What are the key properties of (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
(11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione has a molecular weight of 547.66 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-15-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is sourced from PubChem (CID 157016953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).