2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol

C23H28FN3O2 — CID 67215976

IUPAC2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc2cnccc2[nH]1)C1CC1
InChIInChI=1S/C23H28FN3O2/c1-22(2,18-11-17(24)6-7-20(18)29-3)13-23(28,16-4-5-16)14-26-21-10-15-12-25-9-8-19(15)27-21/h6-12,16,26-28H,4-5,13-14H2,1-3H3
InChIKeyPYICNZOWTIEBAG-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.63
Rot. Bonds8

About 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol

2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol (PubChem CID 67215976) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol
PubChem CID67215976
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc2cnccc2[nH]1)C1CC1
InChIInChI=1S/C23H28FN3O2/c1-22(2,18-11-17(24)6-7-20(18)29-3)13-23(28,16-4-5-16)14-26-21-10-15-12-25-9-8-19(15)27-21/h6-12,16,26-28H,4-5,13-14H2,1-3H3
InChIKeyPYICNZOWTIEBAG-UHFFFAOYSA-N
XLogP4.63
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol
CID 67215876
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
CID 11618165
5-(5-fluoro-2-methoxyphenyl)-2,5-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
CID 11646689
5-(5-fluoro-2-methoxyphenyl)-5-methyl-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)hex-1-yn-3-ol
CID 11485401
1,1,1-trifluoro-4-(4-fluoro-2-methoxyphenyl)-4-methyl-2-[[methyl(1H-pyrrolo[3,2-c]pyridin-2-yl)amino]methyl]pentan-2-ol
CID 67215803
(3S)-5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)hexan-3-ol
CID 90654508
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[methyl-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)amino]methyl]pentan-2-ol
CID 67216142
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methylamino]pentan-2-ol
CID 67215970
1,5-difluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylamino)pentan-2-ol
CID 68799283
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-1-pyridin-4-yl-2-(trifluoromethyl)pentan-1-one
CID 67102307
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
CID 11384346

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol?
The IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol (CID 67215976) is 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc2cnccc2[nH]1)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol?
The InChIKey is PYICNZOWTIEBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-22(2,18-11-17(24)6-7-20(18)29-3)13-23(28,16-4-5-16)14-26-21-10-15-12-25-9-8-19(15)27-21/h6-12,16,26-28H,4-5,13-14H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol?
2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol has a molecular weight of 397.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylamino)pentan-2-ol is sourced from PubChem (CID 67215976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).