N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

C19H23FN6O — CID 167450085

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCC(C)Oc1ccn2c(-c3nccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C19H23FN6O/c1-12(2)27-13-5-8-26-16(11-23-18(26)9-13)19-22-7-4-17(25-19)24-15-10-21-6-3-14(15)20/h4-5,7-9,11-12,14-15,21H,3,6,10H2,1-2H3,(H,22,24,25)/t14-,15-/m0/s1
InChIKeyVAACQQKEAOMFMY-GJZGRUSLSA-N
MW370.43 g/mol
LogP2.69
Rot. Bonds5

About N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (PubChem CID 167450085) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
PubChem CID167450085
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCC(C)Oc1ccn2c(-c3nccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C19H23FN6O/c1-12(2)27-13-5-8-26-16(11-23-18(26)9-13)19-22-7-4-17(25-19)24-15-10-21-6-3-14(15)20/h4-5,7-9,11-12,14-15,21H,3,6,10H2,1-2H3,(H,22,24,25)/t14-,15-/m0/s1
InChIKeyVAACQQKEAOMFMY-GJZGRUSLSA-N
XLogP2.69
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (CID 167450085) is N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is CC(C)Oc1ccn2c(-c3nccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The InChIKey is VAACQQKEAOMFMY-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-12(2)27-13-5-8-26-16(11-23-18(26)9-13)19-22-7-4-17(25-19)24-15-10-21-6-3-14(15)20/h4-5,7-9,11-12,14-15,21H,3,6,10H2,1-2H3,(H,22,24,25)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine has a molecular weight of 370.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropiperidin-3-yl]-2-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 167450085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).