(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide

C24H32F2N6O3 — CID 163237707

IUPAC(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CN(C)C)c2)C1
InChIInChI=1S/C24H32F2N6O3/c1-15(22(33)28-20-6-7-21(30-29-20)35-14-16-4-5-16)32-9-8-24(25,26)19(13-32)17-10-18(12-31(2)3)23(34)27-11-17/h6-7,10-11,15-16,19H,4-5,8-9,12-14H2,1-3H3,(H,27,34)(H,28,29,33)/t15-,19+/m0/s1
InChIKeyIHHFPEJQXJPNKR-HNAYVOBHSA-N
MW490.56 g/mol
LogP2.47
Rot. Bonds9

About (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide

(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide (PubChem CID 163237707) has the molecular formula C24H32F2N6O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide
PubChem CID163237707
Molecular FormulaC24H32F2N6O3
Molecular Weight490.56 g/mol
Exact Mass490.25
IUPAC Name(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CN(C)C)c2)C1
InChIInChI=1S/C24H32F2N6O3/c1-15(22(33)28-20-6-7-21(30-29-20)35-14-16-4-5-16)32-9-8-24(25,26)19(13-32)17-10-18(12-31(2)3)23(34)27-11-17/h6-7,10-11,15-16,19H,4-5,8-9,12-14H2,1-3H3,(H,27,34)(H,28,29,33)/t15-,19+/m0/s1
InChIKeyIHHFPEJQXJPNKR-HNAYVOBHSA-N
XLogP2.47
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide (CID 163237707) is (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CN(C)C)c2)C1.
What is the InChIKey of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide?
The InChIKey is IHHFPEJQXJPNKR-HNAYVOBHSA-N. The full InChI is InChI=1S/C24H32F2N6O3/c1-15(22(33)28-20-6-7-21(30-29-20)35-14-16-4-5-16)32-9-8-24(25,26)19(13-32)17-10-18(12-31(2)3)23(34)27-11-17/h6-7,10-11,15-16,19H,4-5,8-9,12-14H2,1-3H3,(H,27,34)(H,28,29,33)/t15-,19+/m0/s1.
What are the key properties of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide?
(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide has a molecular weight of 490.56 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-3-[5-[(dimethylamino)methyl]-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]propanamide is sourced from PubChem (CID 163237707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).