N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H21N7O2 — CID 170626878

IUPACN-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3ccc(OC4CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H21N7O2/c1-23-20-16-9-24-18(26-22(30)12-2-3-12)8-15(16)17(10-25-20)21-27-19-7-6-14(11-29(19)28-21)31-13-4-5-13/h6-13H,2-5H2,1H3,(H,23,25)(H,24,26,30)
InChIKeyUCRIKBDGPZDLPK-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.27
Rot. Bonds6

About N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170626878) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170626878
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3ccc(OC4CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H21N7O2/c1-23-20-16-9-24-18(26-22(30)12-2-3-12)8-15(16)17(10-25-20)21-27-19-7-6-14(11-29(19)28-21)31-13-4-5-13/h6-13H,2-5H2,1H3,(H,23,25)(H,24,26,30)
InChIKeyUCRIKBDGPZDLPK-UHFFFAOYSA-N
XLogP3.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517
N-[5-[6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677966
N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186994
N-[8-(methylamino)-5-[6-(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627138
N-[8-(methylamino)-5-[6-[(2R)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677742
N-[5-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677663
N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678071
N-[8-(methylamino)-5-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 174207754
cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170677820
cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170627102
N-[8-(difluoromethyl)-5-[6-(1,5-dimethyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121885

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170626878) is N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2nc3ccc(OC4CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is UCRIKBDGPZDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-23-20-16-9-24-18(26-22(30)12-2-3-12)8-15(16)17(10-25-20)21-27-19-7-6-14(11-29(19)28-21)31-13-4-5-13/h6-13H,2-5H2,1H3,(H,23,25)(H,24,26,30).
What are the key properties of N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170626878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).