5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine

C26H26ClFN8 — CID 90098731

IUPAC5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1Nc1cc(-c2nc(CNC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C26H26ClFN8/c27-17-10-20(28)26(33-11-17)36-23-9-16(3-8-31-23)25-34-21-13-30-12-19(15-1-2-15)24(21)22(35-25)14-32-18-4-6-29-7-5-18/h3,8-13,15,18,29,32H,1-2,4-7,14H2,(H,31,33,36)
InChIKeyLDRNWISDOOBNBP-UHFFFAOYSA-N
MW505.00 g/mol
LogP4.74
Rot. Bonds7

About 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine

5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine (PubChem CID 90098731) has the molecular formula C26H26ClFN8 and a molecular weight of 505.00 g/mol. Its IUPAC name is 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine
PubChem CID90098731
Molecular FormulaC26H26ClFN8
Molecular Weight505.00 g/mol
Exact Mass504.20
IUPAC Name5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1Nc1cc(-c2nc(CNC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C26H26ClFN8/c27-17-10-20(28)26(33-11-17)36-23-9-16(3-8-31-23)25-34-21-13-30-12-19(15-1-2-15)24(21)22(35-25)14-32-18-4-6-29-7-5-18/h3,8-13,15,18,29,32H,1-2,4-7,14H2,(H,31,33,36)
InChIKeyLDRNWISDOOBNBP-UHFFFAOYSA-N
XLogP4.74
TPSA100.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine (CID 90098731) is 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1Nc1cc(-c2nc(CNC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine?
The InChIKey is LDRNWISDOOBNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN8/c27-17-10-20(28)26(33-11-17)36-23-9-16(3-8-31-23)25-34-21-13-30-12-19(15-1-2-15)24(21)22(35-25)14-32-18-4-6-29-7-5-18/h3,8-13,15,18,29,32H,1-2,4-7,14H2,(H,31,33,36).
What are the key properties of 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine?
5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine has a molecular weight of 505.00 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 90098731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).