3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

C18H18N8O — CID 71033566

IUPAC3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(O[C@H]2CCNC2)n1
InChIInChI=1S/C18H18N8O/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25)/t14-/m0/s1
InChIKeyDWLLVCKRAVBLCZ-AWEZNQCLSA-N
MW362.40 g/mol
LogP2.00
Rot. Bonds5

About 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine

3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 71033566) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID71033566
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(O[C@H]2CCNC2)n1
InChIInChI=1S/C18H18N8O/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25)/t14-/m0/s1
InChIKeyDWLLVCKRAVBLCZ-AWEZNQCLSA-N
XLogP2.00
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine (CID 71033566) is 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(O[C@H]2CCNC2)n1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DWLLVCKRAVBLCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N8O/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25)/t14-/m0/s1.
What are the key properties of 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine?
3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 362.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 71033566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).