4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide

C25H24N8O — CID 143483172

IUPAC4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC=C(c2cc3c(Nc4ccc5c(c4)CNN5)ccnc3[nH]2)CC1
InChIInChI=1S/C25H24N8O/c34-25(30-19-2-1-8-26-15-19)33-10-6-16(7-11-33)23-13-20-22(5-9-27-24(20)31-23)29-18-3-4-21-17(12-18)14-28-32-21/h1-6,8-9,12-13,15,28,32H,7,10-11,14H2,(H,30,34)(H2,27,29,31)
InChIKeyLIALSUSQVRYLDO-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.45
Rot. Bonds4

About 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 143483172) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID143483172
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC=C(c2cc3c(Nc4ccc5c(c4)CNN5)ccnc3[nH]2)CC1
InChIInChI=1S/C25H24N8O/c34-25(30-19-2-1-8-26-15-19)33-10-6-16(7-11-33)23-13-20-22(5-9-27-24(20)31-23)29-18-3-4-21-17(12-18)14-28-32-21/h1-6,8-9,12-13,15,28,32H,7,10-11,14H2,(H,30,34)(H2,27,29,31)
InChIKeyLIALSUSQVRYLDO-UHFFFAOYSA-N
XLogP4.45
TPSA110.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

4-[4-(1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 16734808
4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 16734109
4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(tert-butylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 58893516
tert-butyl 4-[4-[3-(4-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143483013
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 118897318
1-[4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(tert-butylamino)-2,2-dimethylpropan-1-one
CID 16734442
4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide;2-methylnonane
CID 143483295
4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(4-ethenyl-4-fluoropiperidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 143483095
1-[4-[4-(3-chloro-4-fluoroanilino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one;ethane
CID 143483174
1-[4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 58893300
[2-amino-5-[[6-[1-(pyridin-2-ylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]methylideneazanium
CID 143181559
4-[4-[(2-amino-1,3-benzothiazol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143483099

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 143483172) is 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cccnc1)N1CC=C(c2cc3c(Nc4ccc5c(c4)CNN5)ccnc3[nH]2)CC1.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LIALSUSQVRYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c34-25(30-19-2-1-8-26-15-19)33-10-6-16(7-11-33)23-13-20-22(5-9-27-24(20)31-23)29-18-3-4-21-17(12-18)14-28-32-21/h1-6,8-9,12-13,15,28,32H,7,10-11,14H2,(H,30,34)(H2,27,29,31).
What are the key properties of 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.45, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-indazol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 143483172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).