N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

C19H15ClFN5 — CID 52933061

IUPACN-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESFc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C19H15ClFN5/c20-14-4-5-15(23-10-14)11-24-17-6-3-12(18(21)26-17)8-13-9-25-19-16(13)2-1-7-22-19/h1-7,9-10H,8,11H2,(H,22,25)(H,24,26)
InChIKeyWSVABZVBVLNZQU-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.35
Rot. Bonds5

About N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 52933061) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID52933061
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESFc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C19H15ClFN5/c20-14-4-5-15(23-10-14)11-24-17-6-3-12(18(21)26-17)8-13-9-25-19-16(13)2-1-7-22-19/h1-7,9-10H,8,11H2,(H,22,25)(H,24,26)
InChIKeyWSVABZVBVLNZQU-UHFFFAOYSA-N
XLogP4.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 52933061) is N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is Fc1nc(NCc2ccc(Cl)cn2)ccc1Cc1c[nH]c2ncccc12.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is WSVABZVBVLNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c20-14-4-5-15(23-10-14)11-24-17-6-3-12(18(21)26-17)8-13-9-25-19-16(13)2-1-7-22-19/h1-7,9-10H,8,11H2,(H,22,25)(H,24,26).
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 367.82 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 52933061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).