N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide

C25H24N6O2 — CID 170965220

IUPACN-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2oc(NCC[C@@H](C)NC(=O)c3c(-c4ccccn4)nn4ccccc34)nc2c1
InChIInChI=1S/C25H24N6O2/c1-16-9-10-21-19(15-16)29-25(33-21)27-13-11-17(2)28-24(32)22-20-8-4-6-14-31(20)30-23(22)18-7-3-5-12-26-18/h3-10,12,14-15,17H,11,13H2,1-2H3,(H,27,29)(H,28,32)/t17-/m1/s1
InChIKeyDKZJZLYEBAQOLM-QGZVFWFLSA-N
MW440.51 g/mol
LogP4.47
Rot. Bonds7

About N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170965220) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170965220
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2oc(NCC[C@@H](C)NC(=O)c3c(-c4ccccn4)nn4ccccc34)nc2c1
InChIInChI=1S/C25H24N6O2/c1-16-9-10-21-19(15-16)29-25(33-21)27-13-11-17(2)28-24(32)22-20-8-4-6-14-31(20)30-23(22)18-7-3-5-12-26-18/h3-10,12,14-15,17H,11,13H2,1-2H3,(H,27,29)(H,28,32)/t17-/m1/s1
InChIKeyDKZJZLYEBAQOLM-QGZVFWFLSA-N
XLogP4.47
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170965220) is N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc2oc(NCC[C@@H](C)NC(=O)c3c(-c4ccccn4)nn4ccccc34)nc2c1.
What is the InChIKey of N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DKZJZLYEBAQOLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-9-10-21-19(15-16)29-25(33-21)27-13-11-17(2)28-24(32)22-20-8-4-6-14-31(20)30-23(22)18-7-3-5-12-26-18/h3-10,12,14-15,17H,11,13H2,1-2H3,(H,27,29)(H,28,32)/t17-/m1/s1.
What are the key properties of N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]butan-2-yl]-2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170965220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).