(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide

C19H20ClFN8O — CID 156708659

IUPAC(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide
SMILESN/C(=C\N(N)CC1=CN2C=CC=CC2N1)C(=O)NCc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C19H20ClFN8O/c20-13-4-6-28-11-25-15(18(28)17(13)21)7-24-19(30)14(22)10-29(23)9-12-8-27-5-2-1-3-16(27)26-12/h1-6,8,10-11,16,26H,7,9,22-23H2,(H,24,30)/b14-10-
InChIKeyFJWONRCMSCCJIV-UVTDQMKNSA-N
MW430.88 g/mol
LogP0.88
Rot. Bonds6

About (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide

(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide (PubChem CID 156708659) has the molecular formula C19H20ClFN8O and a molecular weight of 430.88 g/mol. Its IUPAC name is (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide
PubChem CID156708659
Molecular FormulaC19H20ClFN8O
Molecular Weight430.88 g/mol
Exact Mass430.14
IUPAC Name(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide
SMILESN/C(=C\N(N)CC1=CN2C=CC=CC2N1)C(=O)NCc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C19H20ClFN8O/c20-13-4-6-28-11-25-15(18(28)17(13)21)7-24-19(30)14(22)10-29(23)9-12-8-27-5-2-1-3-16(27)26-12/h1-6,8,10-11,16,26H,7,9,22-23H2,(H,24,30)/b14-10-
InChIKeyFJWONRCMSCCJIV-UVTDQMKNSA-N
XLogP0.88
TPSA116.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide?
The IUPAC name of (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide (CID 156708659) is (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide is N/C(=C\N(N)CC1=CN2C=CC=CC2N1)C(=O)NCc1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide?
The InChIKey is FJWONRCMSCCJIV-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H20ClFN8O/c20-13-4-6-28-11-25-15(18(28)17(13)21)7-24-19(30)14(22)10-29(23)9-12-8-27-5-2-1-3-16(27)26-12/h1-6,8,10-11,16,26H,7,9,22-23H2,(H,24,30)/b14-10-.
What are the key properties of (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide?
(Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide has a molecular weight of 430.88 g/mol, XLogP of 0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1,8a-dihydroimidazo[1,2-a]pyridin-2-ylmethyl(amino)amino]-2-amino-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 156708659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).