N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide

C18H18ClN5O2 — CID 87191863

IUPACN-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIInChI=1S/C18H18ClN5O2/c19-15-8-12(14-10-21-18-13(14)2-1-3-20-18)9-16(22-15)23-17(25)11-24-4-6-26-7-5-24/h1-3,8-10H,4-7,11H2,(H,20,21)(H,22,23,25)
InChIKeyAKFIQJSKPYFRSF-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.55
Rot. Bonds4

About N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 87191863) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID87191863
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIInChI=1S/C18H18ClN5O2/c19-15-8-12(14-10-21-18-13(14)2-1-3-20-18)9-16(22-15)23-17(25)11-24-4-6-26-7-5-24/h1-3,8-10H,4-7,11H2,(H,20,21)(H,22,23,25)
InChIKeyAKFIQJSKPYFRSF-UHFFFAOYSA-N
XLogP2.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]ethanone
CID 87192364
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-2-(methylamino)acetamide
CID 87192255
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]acetamide
CID 87191733
6-chloro-N-(oxolan-2-ylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87184931
[4-[[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]-phenylmethanone
CID 87196229
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
6-chloro-N-[4-(1,1-dihydroxy-1,4-thiazinan-4-yl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191584
6-chloro-N-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191435
6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191761
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-cyclopentylazetidine-2-carboxamide
CID 87191852
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191184
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-(1H-indol-6-ylmethyl)azetidine-3-carboxamide
CID 87191676

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 87191863) is N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1.
What is the InChIKey of N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is AKFIQJSKPYFRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-15-8-12(14-10-21-18-13(14)2-1-3-20-18)9-16(22-15)23-17(25)11-24-4-6-26-7-5-24/h1-3,8-10H,4-7,11H2,(H,20,21)(H,22,23,25).
What are the key properties of N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 371.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 87191863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).