N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C24H27FN8O2 — CID 154605216

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
InChIInChI=1S/C24H27FN8O2/c1-26-20-12-18(30-33-21(13-28-23(20)33)24(34)29-19-11-17(19)25)16-14-32(22-15(16)3-2-4-27-22)6-5-31-7-9-35-10-8-31/h2-4,12-14,17,19,26H,5-11H2,1H3,(H,29,34)/t17-,19+/m0/s1
InChIKeyCLYVCIBESDRONZ-PKOBYXMFSA-N
MW478.53 g/mol
LogP1.96
Rot. Bonds7

About N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154605216) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154605216
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
InChIInChI=1S/C24H27FN8O2/c1-26-20-12-18(30-33-21(13-28-23(20)33)24(34)29-19-11-17(19)25)16-14-32(22-15(16)3-2-4-27-22)6-5-31-7-9-35-10-8-31/h2-4,12-14,17,19,26H,5-11H2,1H3,(H,29,34)/t17-,19+/m0/s1
InChIKeyCLYVCIBESDRONZ-PKOBYXMFSA-N
XLogP1.96
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 154605216) is N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CLYVCIBESDRONZ-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-26-20-12-18(30-33-21(13-28-23(20)33)24(34)29-19-11-17(19)25)16-14-32(22-15(16)3-2-4-27-22)6-5-31-7-9-35-10-8-31/h2-4,12-14,17,19,26H,5-11H2,1H3,(H,29,34)/t17-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154605216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).