(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H26FN5O2 — CID 20925422

IUPAC(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCCC2)c2c(C(=O)N3CCN(c4ccccc4F)CC3)c(C)oc2n1
InChIInChI=1S/C23H26FN5O2/c1-15-19(20-21(28-9-5-6-10-28)25-16(2)26-22(20)31-15)23(30)29-13-11-27(12-14-29)18-8-4-3-7-17(18)24/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyNHAJNGKKYWDMPX-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.54
Rot. Bonds3

About (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20925422) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20925422
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCCC2)c2c(C(=O)N3CCN(c4ccccc4F)CC3)c(C)oc2n1
InChIInChI=1S/C23H26FN5O2/c1-15-19(20-21(28-9-5-6-10-28)25-16(2)26-22(20)31-15)23(30)29-13-11-27(12-14-29)18-8-4-3-7-17(18)24/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyNHAJNGKKYWDMPX-UHFFFAOYSA-N
XLogP3.54
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362934
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684687
[4-[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 42672676
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
(2-fluorophenyl)-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1466676
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
12-[4-(2-fluorophenyl)piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 1068766

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 20925422) is (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1nc(N2CCCC2)c2c(C(=O)N3CCN(c4ccccc4F)CC3)c(C)oc2n1.
What is the InChIKey of (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NHAJNGKKYWDMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-15-19(20-21(28-9-5-6-10-28)25-16(2)26-22(20)31-15)23(30)29-13-11-27(12-14-29)18-8-4-3-7-17(18)24/h3-4,7-8H,5-6,9-14H2,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 423.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20925422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).