4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C26H27FN6O3 — CID 90420660

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C[C@@H](C)O)c4)CC3)cc12
InChIInChI=1S/C26H27FN6O3/c1-16(34)14-33-15-19(13-29-33)30-26(35)32-9-6-17(7-10-32)23-12-22-20(5-8-28-25(22)31-23)21-11-18(27)3-4-24(21)36-2/h3-6,8,11-13,15-16,34H,7,9-10,14H2,1-2H3,(H,28,31)(H,30,35)/t16-/m1/s1
InChIKeyRQXNKSZAEUBICO-MRXNPFEDSA-N
MW490.54 g/mol
LogP4.28
Rot. Bonds6

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90420660) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90420660
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C[C@@H](C)O)c4)CC3)cc12
InChIInChI=1S/C26H27FN6O3/c1-16(34)14-33-15-19(13-29-33)30-26(35)32-9-6-17(7-10-32)23-12-22-20(5-8-28-25(22)31-23)21-11-18(27)3-4-24(21)36-2/h3-6,8,11-13,15-16,34H,7,9-10,14H2,1-2H3,(H,28,31)(H,30,35)/t16-/m1/s1
InChIKeyRQXNKSZAEUBICO-MRXNPFEDSA-N
XLogP4.28
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90420660) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)Nc4cnn(C[C@@H](C)O)c4)CC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is RQXNKSZAEUBICO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-16(34)14-33-15-19(13-29-33)30-26(35)32-9-6-17(7-10-32)23-12-22-20(5-8-28-25(22)31-23)21-11-18(27)3-4-24(21)36-2/h3-6,8,11-13,15-16,34H,7,9-10,14H2,1-2H3,(H,28,31)(H,30,35)/t16-/m1/s1.
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90420660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).