N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide

C36H41N7O3 — CID 164556142

IUPACN-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc([C@@H](C)N(C)C(=O)c5ccccc5)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C36H41N7O3/c1-22(40(3)35(44)25-9-6-5-7-10-25)29-15-14-26-17-30(42(34(26)38-29)20-24-12-13-24)33-23(2)43-31(39-33)18-27(19-32(43)46-4)36(45)41-16-8-11-28(37)21-41/h5-7,9-10,14-15,17-19,22,24,28H,8,11-13,16,20-21,37H2,1-4H3/t22-,28-/m1/s1
InChIKeyAQSVXGWYFACZEQ-SKCUWOTOSA-N
MW619.77 g/mol
LogP5.47
Rot. Bonds8

About N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide

N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide (PubChem CID 164556142) has the molecular formula C36H41N7O3 and a molecular weight of 619.77 g/mol. Its IUPAC name is N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide
PubChem CID164556142
Molecular FormulaC36H41N7O3
Molecular Weight619.77 g/mol
Exact Mass619.33
IUPAC NameN-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc([C@@H](C)N(C)C(=O)c5ccccc5)nc4n3CC3CC3)c(C)n12
InChIInChI=1S/C36H41N7O3/c1-22(40(3)35(44)25-9-6-5-7-10-25)29-15-14-26-17-30(42(34(26)38-29)20-24-12-13-24)33-23(2)43-31(39-33)18-27(19-32(43)46-4)36(45)41-16-8-11-28(37)21-41/h5-7,9-10,14-15,17-19,22,24,28H,8,11-13,16,20-21,37H2,1-4H3/t22-,28-/m1/s1
InChIKeyAQSVXGWYFACZEQ-SKCUWOTOSA-N
XLogP5.47
TPSA110.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide?
The IUPAC name of N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide (CID 164556142) is N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide is COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc([C@@H](C)N(C)C(=O)c5ccccc5)nc4n3CC3CC3)c(C)n12.
What is the InChIKey of N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide?
The InChIKey is AQSVXGWYFACZEQ-SKCUWOTOSA-N. The full InChI is InChI=1S/C36H41N7O3/c1-22(40(3)35(44)25-9-6-5-7-10-25)29-15-14-26-17-30(42(34(26)38-29)20-24-12-13-24)33-23(2)43-31(39-33)18-27(19-32(43)46-4)36(45)41-16-8-11-28(37)21-41/h5-7,9-10,14-15,17-19,22,24,28H,8,11-13,16,20-21,37H2,1-4H3/t22-,28-/m1/s1.
What are the key properties of N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide?
N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide has a molecular weight of 619.77 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide is sourced from PubChem (CID 164556142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).