N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

C25H21N9O — CID 137039366

IUPACN-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H21N9O/c1-3-22(35)29-16-8-15(10-26-11-16)18-4-5-20-23(31-18)24(33-32-20)21-9-17-19(30-21)6-7-27-25(17)34-12-14(2)28-13-34/h4-13,30H,3H2,1-2H3,(H,29,35)(H,32,33)
InChIKeyXVXHKIMTVDCGSZ-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.41
Rot. Bonds5

About N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137039366) has the molecular formula C25H21N9O and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137039366
Molecular FormulaC25H21N9O
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC NameN-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C25H21N9O/c1-3-22(35)29-16-8-15(10-26-11-16)18-4-5-20-23(31-18)24(33-32-20)21-9-17-19(30-21)6-7-27-25(17)34-12-14(2)28-13-34/h4-13,30H,3H2,1-2H3,(H,29,35)(H,32,33)
InChIKeyXVXHKIMTVDCGSZ-UHFFFAOYSA-N
XLogP4.41
TPSA130.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137039366) is N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-n6cnc(C)c6)nccc5[nH]4)c3n2)c1.
What is the InChIKey of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is XVXHKIMTVDCGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N9O/c1-3-22(35)29-16-8-15(10-26-11-16)18-4-5-20-23(31-18)24(33-32-20)21-9-17-19(30-21)6-7-27-25(17)34-12-14(2)28-13-34/h4-13,30H,3H2,1-2H3,(H,29,35)(H,32,33).
What are the key properties of N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 463.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137039366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).