N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide

C26H28N6O2 — CID 143447605

IUPACN-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESC[C@@H](O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3c[nH]c4ncccc34)cc21
InChIInChI=1S/C26H28N6O2/c1-16(33)32-15-26(2,3)21-9-8-18(12-22(21)32)31-25(34)20-7-5-11-28-24(20)30-14-17-13-29-23-19(17)6-4-10-27-23/h4-13,16,33H,14-15H2,1-3H3,(H,27,29)(H,28,30)(H,31,34)/t16-/m1/s1
InChIKeyMZTISWASZUSFLQ-MRXNPFEDSA-N
MW456.55 g/mol
LogP4.26
Rot. Bonds6

About N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 143447605) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID143447605
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESC[C@@H](O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3c[nH]c4ncccc34)cc21
InChIInChI=1S/C26H28N6O2/c1-16(33)32-15-26(2,3)21-9-8-18(12-22(21)32)31-25(34)20-7-5-11-28-24(20)30-14-17-13-29-23-19(17)6-4-10-27-23/h4-13,16,33H,14-15H2,1-3H3,(H,27,29)(H,28,30)(H,31,34)/t16-/m1/s1
InChIKeyMZTISWASZUSFLQ-MRXNPFEDSA-N
XLogP4.26
TPSA106.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 58942005
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 149238261
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;N-[1-[2-[hydroxy(dimethyl)silyl]ethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 164999091
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249397
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498869
N-[2-(2-hydroxypentanoyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 143174470
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 66415076

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 143447605) is N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide is C[C@@H](O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3c[nH]c4ncccc34)cc21.
What is the InChIKey of N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is MZTISWASZUSFLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16(33)32-15-26(2,3)21-9-8-18(12-22(21)32)31-25(34)20-7-5-11-28-24(20)30-14-17-13-29-23-19(17)6-4-10-27-23/h4-13,16,33H,14-15H2,1-3H3,(H,27,29)(H,28,30)(H,31,34)/t16-/m1/s1.
What are the key properties of N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 143447605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).