N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide

C37H35F2N7O3 — CID 143891370

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide

SMILESCOC1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)CC1

InChIInChI=1S/C37H35F2N7O3/c1-49-37(36(48)42-28-8-10-32-30(22-28)34(44-43-32)25-3-6-27(38)7-4-25)13-19-45(20-14-37)23-33(47)46-17-11-24(12-18-46)29-9-5-26(21-31(29)39)35-40-15-2-16-41-35/h2-11,15-16,21-22H,12-14,17-20,23H2,1H3,(H,42,48)(H,43,44)

InChIKeyBIWUAXPRRGEZFO-UHFFFAOYSA-N

MW663.73 g/mol

LogP5.70

Rot. Bonds8

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 143891370) has the molecular formula C37H35F2N7O3 and a molecular weight of 663.73 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound Name	N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID	143891370
Molecular Formula	C37H35F2N7O3
Molecular Weight	663.73 g/mol
Exact Mass	663.28
IUPAC Name	N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
SMILES	COC1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)CC1
InChI	InChI=1S/C37H35F2N7O3/c1-49-37(36(48)42-28-8-10-32-30(22-28)34(44-43-32)25-3-6-27(38)7-4-25)13-19-45(20-14-37)23-33(47)46-17-11-24(12-18-46)29-9-5-26(21-31(29)39)35-40-15-2-16-41-35/h2-11,15-16,21-22H,12-14,17-20,23H2,1H3,(H,42,48)(H,43,44)
InChIKey	BIWUAXPRRGEZFO-UHFFFAOYSA-N
XLogP	5.70
TPSA	116.34 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.73
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?

The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide (CID 143891370) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide.

What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?

The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)CC1.

What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?

The InChIKey is BIWUAXPRRGEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F2N7O3/c1-49-37(36(48)42-28-8-10-32-30(22-28)34(44-43-32)25-3-6-27(38)7-4-25)13-19-45(20-14-37)23-33(47)46-17-11-24(12-18-46)29-9-5-26(21-31(29)39)35-40-15-2-16-41-35/h2-11,15-16,21-22H,12-14,17-20,23H2,1H3,(H,42,48)(H,43,44).

What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 663.73 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 143891370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).