5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C17H18N6O — CID 168773461

IUPAC5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(-c3ccc4nccn4c3)c[nH]c2n1
InChIInChI=1S/C17H18N6O/c1-11(10-24-2)21-17-20-8-14-13(7-19-16(14)22-17)12-3-4-15-18-5-6-23(15)9-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)/t11-/m0/s1
InChIKeyHXOJTCCJMZZIDN-NSHDSACASA-N
MW322.37 g/mol
LogP2.72
Rot. Bonds5

About 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773461) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773461
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(-c3ccc4nccn4c3)c[nH]c2n1
InChIInChI=1S/C17H18N6O/c1-11(10-24-2)21-17-20-8-14-13(7-19-16(14)22-17)12-3-4-15-18-5-6-23(15)9-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)/t11-/m0/s1
InChIKeyHXOJTCCJMZZIDN-NSHDSACASA-N
XLogP2.72
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773461) is 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COC[C@H](C)Nc1ncc2c(-c3ccc4nccn4c3)c[nH]c2n1.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is HXOJTCCJMZZIDN-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N6O/c1-11(10-24-2)21-17-20-8-14-13(7-19-16(14)22-17)12-3-4-15-18-5-6-23(15)9-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)/t11-/m0/s1.
What are the key properties of 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-6-yl-N-[(2S)-1-methoxypropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).