[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C19H21FN4O2 — CID 123189678

IUPAC[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)Oc1cc2c(cc1F)N=C2c1cc(N2CCC(CO)C2)ncn1
InChIInChI=1S/C19H21FN4O2/c1-11(2)26-17-5-13-15(6-14(17)20)23-19(13)16-7-18(22-10-21-16)24-4-3-12(8-24)9-25/h5-7,10-12,25H,3-4,8-9H2,1-2H3
InChIKeyFLZKMNFDHBXHAE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.70
Rot. Bonds5

About [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 123189678) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID123189678
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCC(C)Oc1cc2c(cc1F)N=C2c1cc(N2CCC(CO)C2)ncn1
InChIInChI=1S/C19H21FN4O2/c1-11(2)26-17-5-13-15(6-14(17)20)23-19(13)16-7-18(22-10-21-16)24-4-3-12(8-24)9-25/h5-7,10-12,25H,3-4,8-9H2,1-2H3
InChIKeyFLZKMNFDHBXHAE-UHFFFAOYSA-N
XLogP2.70
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1E)-{[3-(dimethylamino)propoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646063
2-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl}methylidene)amino]oxy}ethan-1-ol
CID 23646067
3-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl}methylidene)amino]oxy}propan-1-ol
CID 23646068
2-{[6-(3-Fluoro-5-isopropoxyphenyl)pyrimidin-4-YL]amino}ethanol
CID 74234848
N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126445760
1-[6-(5-Fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 132426661
{4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methyl-(2-methyl-pyrimidin-4-yl)-amine
CID 18679566
4-[(E)-[4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methylideneamino]oxybutan-1-ol
CID 44512299
2-chloro-N-[3-(1-ethylindol-5-yl)oxypropyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 57845380
(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene
CID 58531940
[6-[(4-fluoro-2-methyl-2,3-dihydro-1H-indol-5-yl)oxy]pyrimidin-4-yl]methanol
CID 68186629
5-[3-(dimethylamino)propoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 74077331

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 123189678) is [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CC(C)Oc1cc2c(cc1F)N=C2c1cc(N2CCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is FLZKMNFDHBXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-11(2)26-17-5-13-15(6-14(17)20)23-19(13)16-7-18(22-10-21-16)24-4-3-12(8-24)9-25/h5-7,10-12,25H,3-4,8-9H2,1-2H3.
What are the key properties of [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 356.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 123189678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).