N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide

C27H36F2N6O5 — CID 145084124

IUPACN-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide
SMILESCCCC(CC)N(C(=O)Nc1cnc(OC[C@H]2COC(C)(C)O2)cn1)c1nc(C(=O)NC2CC2(F)F)ccc1C
InChIInChI=1S/C27H36F2N6O5/c1-6-8-17(7-2)35(23-16(3)9-10-19(32-23)24(36)33-20-11-27(20,28)29)25(37)34-21-12-31-22(13-30-21)38-14-18-15-39-26(4,5)40-18/h9-10,12-13,17-18,20H,6-8,11,14-15H2,1-5H3,(H,33,36)(H,30,34,37)/t17?,18-,20?/m0/s1
InChIKeyKGLYPWSXXIWSPJ-FDYSRKEFSA-N
MW562.62 g/mol
LogP4.46
Rot. Bonds11

About N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide

N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide (PubChem CID 145084124) has the molecular formula C27H36F2N6O5 and a molecular weight of 562.62 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide
PubChem CID145084124
Molecular FormulaC27H36F2N6O5
Molecular Weight562.62 g/mol
Exact Mass562.27
IUPAC NameN-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide
SMILESCCCC(CC)N(C(=O)Nc1cnc(OC[C@H]2COC(C)(C)O2)cn1)c1nc(C(=O)NC2CC2(F)F)ccc1C
InChIInChI=1S/C27H36F2N6O5/c1-6-8-17(7-2)35(23-16(3)9-10-19(32-23)24(36)33-20-11-27(20,28)29)25(37)34-21-12-31-22(13-30-21)38-14-18-15-39-26(4,5)40-18/h9-10,12-13,17-18,20H,6-8,11,14-15H2,1-5H3,(H,33,36)(H,30,34,37)/t17?,18-,20?/m0/s1
InChIKeyKGLYPWSXXIWSPJ-FDYSRKEFSA-N
XLogP4.46
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide (CID 145084124) is N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide is CCCC(CC)N(C(=O)Nc1cnc(OC[C@H]2COC(C)(C)O2)cn1)c1nc(C(=O)NC2CC2(F)F)ccc1C.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide?
The InChIKey is KGLYPWSXXIWSPJ-FDYSRKEFSA-N. The full InChI is InChI=1S/C27H36F2N6O5/c1-6-8-17(7-2)35(23-16(3)9-10-19(32-23)24(36)33-20-11-27(20,28)29)25(37)34-21-12-31-22(13-30-21)38-14-18-15-39-26(4,5)40-18/h9-10,12-13,17-18,20H,6-8,11,14-15H2,1-5H3,(H,33,36)(H,30,34,37)/t17?,18-,20?/m0/s1.
What are the key properties of N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide?
N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide has a molecular weight of 562.62 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-6-[[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-yl]carbamoyl-hexan-3-ylamino]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 145084124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).