(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C20H26N8O — CID 97344020

IUPAC(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(Cc4cn5cccnc5n4)CC3)C2=O)cn1
InChIInChI=1S/C20H26N8O/c1-24-15-17(12-22-24)28-7-2-4-18(19(28)29)26-10-8-25(9-11-26)13-16-14-27-6-3-5-21-20(27)23-16/h3,5-6,12,14-15,18H,2,4,7-11,13H2,1H3/t18-/m1/s1
InChIKeyMTDWHPNSPBNOLN-GOSISDBHSA-N
MW394.48 g/mol
LogP0.78
Rot. Bonds4

About (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 97344020) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID97344020
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(Cc4cn5cccnc5n4)CC3)C2=O)cn1
InChIInChI=1S/C20H26N8O/c1-24-15-17(12-22-24)28-7-2-4-18(19(28)29)26-10-8-25(9-11-26)13-16-14-27-6-3-5-21-20(27)23-16/h3,5-6,12,14-15,18H,2,4,7-11,13H2,1H3/t18-/m1/s1
InChIKeyMTDWHPNSPBNOLN-GOSISDBHSA-N
XLogP0.78
TPSA74.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 97344020) is (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CCC[C@@H](N3CCN(Cc4cn5cccnc5n4)CC3)C2=O)cn1.
What is the InChIKey of (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is MTDWHPNSPBNOLN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N8O/c1-24-15-17(12-22-24)28-7-2-4-18(19(28)29)26-10-8-25(9-11-26)13-16-14-27-6-3-5-21-20(27)23-16/h3,5-6,12,14-15,18H,2,4,7-11,13H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
(3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 97344020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).