[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C23H21N5O2 — CID 167753472

IUPAC[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-17-6-4-16(5-7-17)21-20(14-26-27-21)23(29)28-11-8-15(9-12-28)19-13-25-22-18(19)3-2-10-24-22/h2-8,10,13-14H,9,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyDQSPNBCTZMBPEA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.89
Rot. Bonds4

About [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 167753472) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID167753472
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-17-6-4-16(5-7-17)21-20(14-26-27-21)23(29)28-11-8-15(9-12-28)19-13-25-22-18(19)3-2-10-24-22/h2-8,10,13-14H,9,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyDQSPNBCTZMBPEA-UHFFFAOYSA-N
XLogP3.89
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 167753472) is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1ccc(-c2[nH]ncc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DQSPNBCTZMBPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-30-17-6-4-16(5-7-17)21-20(14-26-27-21)23(29)28-11-8-15(9-12-28)19-13-25-22-18(19)3-2-10-24-22/h2-8,10,13-14H,9,11-12H2,1H3,(H,24,25)(H,26,27).
What are the key properties of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 167753472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).