[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol

C21H15ClFN5O — CID 171527031

IUPAC[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3n2)c1
InChIInChI=1S/C21H15ClFN5O/c22-15-7-19-13(6-16(15)23)3-4-28(19)21-20-18(25-11-26-21)2-1-17(27-20)14-5-12(10-29)8-24-9-14/h1-2,5-9,11,29H,3-4,10H2
InChIKeyHBPCQCRDXFSPOA-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.07
Rot. Bonds3

About [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol

[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol (PubChem CID 171527031) has the molecular formula C21H15ClFN5O and a molecular weight of 407.84 g/mol. Its IUPAC name is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol
PubChem CID171527031
Molecular FormulaC21H15ClFN5O
Molecular Weight407.84 g/mol
Exact Mass407.09
IUPAC Name[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3n2)c1
InChIInChI=1S/C21H15ClFN5O/c22-15-7-19-13(6-16(15)23)3-4-28(19)21-20-18(25-11-26-21)2-1-17(27-20)14-5-12(10-29)8-24-9-14/h1-2,5-9,11,29H,3-4,10H2
InChIKeyHBPCQCRDXFSPOA-UHFFFAOYSA-N
XLogP4.07
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol with MolForge

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Related Compounds

2-[[4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol
CID 118014429
US10172859, Example 64
CID 86292265
US10172859, Example 423
CID 118954792
US10172859, Example 359
CID 118954837
US10172859, Example 117
CID 118954853
US10172859, Example 395
CID 118954861
US10172859, Example 457
CID 118954904
US10172859, Example 34
CID 118954905
US10172859, Example 240
CID 118966397
[1-[2-(6-Chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-4-yl]methanol
CID 139344346
1-[2-(6-Chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol
CID 139344723
[1-[2-(6-Chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol
CID 139344897

Frequently Asked Questions

What is the IUPAC name of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol (CID 171527031) is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol is OCc1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3n2)c1.
What is the InChIKey of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol?
The InChIKey is HBPCQCRDXFSPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O/c22-15-7-19-13(6-16(15)23)3-4-28(19)21-20-18(25-11-26-21)2-1-17(27-20)14-5-12(10-29)8-24-9-14/h1-2,5-9,11,29H,3-4,10H2.
What are the key properties of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol?
[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol has a molecular weight of 407.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 171527031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).