(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C22H23N7O — CID 88937669

IUPAC(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESC#Cc1ccc2ncc(-c3nccc(N[C@@H]4CCCN(C(=O)C5(N)CC5)C4)n3)n2c1
InChIInChI=1S/C22H23N7O/c1-2-15-5-6-19-25-12-17(29(19)13-15)20-24-10-7-18(27-20)26-16-4-3-11-28(14-16)21(30)22(23)8-9-22/h1,5-7,10,12-13,16H,3-4,8-9,11,14,23H2,(H,24,26,27)/t16-/m1/s1
InChIKeyFUUATFIZEBSEPK-MRXNPFEDSA-N
MW401.47 g/mol
LogP1.67
Rot. Bonds4

About (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 88937669) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID88937669
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESC#Cc1ccc2ncc(-c3nccc(N[C@@H]4CCCN(C(=O)C5(N)CC5)C4)n3)n2c1
InChIInChI=1S/C22H23N7O/c1-2-15-5-6-19-25-12-17(29(19)13-15)20-24-10-7-18(27-20)26-16-4-3-11-28(14-16)21(30)22(23)8-9-22/h1,5-7,10,12-13,16H,3-4,8-9,11,14,23H2,(H,24,26,27)/t16-/m1/s1
InChIKeyFUUATFIZEBSEPK-MRXNPFEDSA-N
XLogP1.67
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 88937669) is (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is C#Cc1ccc2ncc(-c3nccc(N[C@@H]4CCCN(C(=O)C5(N)CC5)C4)n3)n2c1.
What is the InChIKey of (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is FUUATFIZEBSEPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N7O/c1-2-15-5-6-19-25-12-17(29(19)13-15)20-24-10-7-18(27-20)26-16-4-3-11-28(14-16)21(30)22(23)8-9-22/h1,5-7,10,12-13,16H,3-4,8-9,11,14,23H2,(H,24,26,27)/t16-/m1/s1.
What are the key properties of (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 88937669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).