2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol

C23H21ClFN5O — CID 126531102

IUPAC2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30)
InChIKeyICBHKKQDLXKXRF-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.28
Rot. Bonds5

About 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 126531102) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID126531102
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30)
InChIKeyICBHKKQDLXKXRF-UHFFFAOYSA-N
XLogP5.28
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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SD-208
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CID 46861540
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(4-methyl-1-piperazinyl)-2-pentynamide
CID 11518389
4-(3-Chloro-4-fluoro-phenylamino)-6-(2-morpholin-4-yl-ethylamino)-1,7-naphthyridine-3-carbonitrile
CID 44143344
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(1-piperidinyl)-2-pentynamide
CID 11604864
N4-(3-chloro-4-fluorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 10851012
N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine
CID 17756796

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol (CID 126531102) is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol is CC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F.
What is the InChIKey of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is ICBHKKQDLXKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30).
What are the key properties of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 437.91 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 126531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).